N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine

C14H18F3N3 — CID 62283700

IUPACN-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESFC(F)(F)CN(c1ccc(CNC2CC2)cn1)C1CC1
InChIInChI=1S/C14H18F3N3/c15-14(16,17)9-20(12-4-5-12)13-6-1-10(8-19-13)7-18-11-2-3-11/h1,6,8,11-12,18H,2-5,7,9H2
InChIKeyHAKGSTBCBFKYOK-UHFFFAOYSA-N
MW285.31 g/mol
LogP2.86
Rot. Bonds6

About N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine

N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine (PubChem CID 62283700) has the molecular formula C14H18F3N3 and a molecular weight of 285.31 g/mol. Its IUPAC name is N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine
PubChem CID62283700
Molecular FormulaC14H18F3N3
Molecular Weight285.31 g/mol
Exact Mass285.15
IUPAC NameN-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESFC(F)(F)CN(c1ccc(CNC2CC2)cn1)C1CC1
InChIInChI=1S/C14H18F3N3/c15-14(16,17)9-20(12-4-5-12)13-6-1-10(8-19-13)7-18-11-2-3-11/h1,6,8,11-12,18H,2-5,7,9H2
InChIKeyHAKGSTBCBFKYOK-UHFFFAOYSA-N
XLogP2.86
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The IUPAC name of N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine (CID 62283700) is N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine.
What is the SMILES notation for N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The canonical SMILES for N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine is FC(F)(F)CN(c1ccc(CNC2CC2)cn1)C1CC1.
What is the InChIKey of N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The InChIKey is HAKGSTBCBFKYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3/c15-14(16,17)9-20(12-4-5-12)13-6-1-10(8-19-13)7-18-11-2-3-11/h1,6,8,11-12,18H,2-5,7,9H2.
What are the key properties of N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine has a molecular weight of 285.31 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine is sourced from PubChem (CID 62283700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).